46943887 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 17 17 9 9 9 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 6 6 7 7 7 8 8 9 9 9 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 21 21 22 23 24 25 23 24 20 20 20 9 35 10 11 27 10 15 10 13 26 12 15 14 16 17 18 19 20 28 21 29 24 30 23 31 22 32 22 33 34 25 25 36 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 9 6 10 13 26 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 6.048 2.8833 2 2.366 3.366 6.6804 5.4071 4.0981 5.6859 5.0981 4.5981 4.5981 5.2791 3.732 3.7891 5.4641 4.2846 5.8669 3.732 2.866 5.4641 4.5981 5.4602 3.8779 4.4656 6.0503 5.9967 3.1994 6.001 3.9202 6.4835 3.1951 6.001 4.5981 7.0448 4.2135 4.3965 2.9875 -1.8965 -3.2625 -1.5305 0.8468 -0.8087 0.1424 0.9514 0.1424 -1.3965 -2.3965 1.8649 -2.8965 -0.8087 -2.8965 1.9694 2.6739 -3.8965 -2.3965 -3.8965 -4.3965 3.5875 2.883 3.692 1.453 -1.0003 -1.0003 -2.5865 1.4679 2.6091 -4.2065 -4.2065 -5.0165 1.3484 4.2584 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 11 12 12 13 13 14 16 17 18 19 21 23 24 10 11 10 15 6 15 14 16 17 18 19 21 24 23 22 22 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 444 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B218006000000000000000000000000016000000030600000000000000001D000001F02100800000C1EE19F363D9096C99200A0033667640482802DB117A009D920387E988A7EA2C19B119470086CD003D8D82790C0A00E80000020009000000000004001200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dichlorophenyl)-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dichlorophenyl)-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dichlorophenyl)-[5-[2-(trifluoromethyl)phenyl]-1<I>H</I>-imidazol-2-yl]methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dichlorophenyl)-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [3,5-bis(chloranyl)phenyl]-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,5-dichlorophenyl)-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H11Cl2F3N2O/c18-10-5-9(6-11(19)7-10)15(25)16-23-8-14(24-16)12-3-1-2-4-13(12)17(20,21)22/h1-8,15,25H,(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BGDDYTKLEUDECV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.0200529 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H11Cl2F3N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C2=CN=C(N2)C(C3=CC(=CC(=C3)Cl)Cl)O)C(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C2=CN=C(N2)C(C3=CC(=CC(=C3)Cl)Cl)O)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 48.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.0200529 25 1 0 1 0 0 0 0 1 -1